Glycoside
GD102831
Name:
NoneFormula:
C21H20O7N2Cl2SSmiles:
O=C(Cn1cc(Cl)c(=O)c(Cl)c1)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1Aglycone:
O=C(Cn1cc(Cl)c(=O)c(Cl)c1)Nc1ccc(S)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.37 |
| AlogP: | 0.69 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.35 | Num_heavy_atoms: | 31 |
| TPSA: | 141.25 | NumAromaticRings: | 2 |
Unique Aglycone
AD43528
Formula: C15H10O2N2Cl2S
Smiles:
O=C(Cn1cc(Cl)c(=O)c(Cl)c1)Nc1ccc(S)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.08 |
| AlogP: | 3.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 329.21 | Num_heavy_atoms: | 20 |
| TPSA: | 51.1 | NumAromaticRings: | 2 |
